(3R,4S)-N-cyclopropyl-4-dibenzothiophen-2-yl-N-[4-(3-methoxypropyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]piperidine-3-carboxamide

Systemtic Name: (3R,4S)-N-cyclopropyl-4-dibenzothiophen-2-yl-N-[4-(3-methoxypropyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]piperidine-3-carboxamide Openeye Name: (3R,4S)-N-cyclopropyl-4-dibenzothiophen-2-yl-N-[4-(3-methoxypropyl)-3-oxo-1,4-benzoxazin-6-yl]piperidine-3-carboxamide CAS Name: (3R,4S)-N-cyclopropyl-4-(2-dibenzothiophenyl)-N-[4-(3-methoxypropyl)-3-oxo-1,4-benzoxazin-6-yl]-3-piperidinecarboxamide IUPAC Name: (3R,4S)-N-cyclopropyl-4-dibenzothiophen-2-yl-N-[4-(3-methoxypropyl)-3-oxo-1,4-benzoxazin-6-yl]piperidine-3-carboxamide Traditional Name: (3R,4S)-N-cyclopropyl-4-dibenzothiophen-2-yl-N-[3-keto-4-(3-methoxypropyl)-1,4-benzoxazin-6-yl]nipecotamide Formula: C33H35N3O4S MolecularWeight: 569.7137

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)COC2=C1C=C(C=C2)N(C3CC3)C(=O)C4CNCCC4C5=CC6=C(C=C5)SC7=CC=CC=C76

Isomeric SMILES

COCCCN1C(=O)COC2=C1C=C(C=C2)N(C3CC3)C(=O)[C@H]4CNCC[C@@H]4C5=CC6=C(C=C5)SC7=CC=CC=C76

InChI

InChI=1S/C33H35N3O4S/c1-39-16-4-15-35-28-18-23(10-11-29(28)40-20-32(35)37)36(22-8-9-22)33(38)27-19-34-14-13-24(27)21-7-12-31-26(17-21)25-5-2-3-6-30(25)41-31/h2-3,5-7,10-12,17-18,22,24,27,34H,4,8-9,13-16,19-20H2,1H3/t24-,27+/m1/s1