1-[(3S)-1-(3-methylbutyl)-2,4-bis(oxidanylidene)-5-phenyl-1,5-benzodiazepin-3-yl]-3-phenyl-urea

Systemtic Name: 1-[(3S)-1-(3-methylbutyl)-2,4-bis(oxidanylidene)-5-phenyl-1,5-benzodiazepin-3-yl]-3-phenyl-urea Openeye Name: 1-[(3S)-1-isopentyl-2,4-dioxo-5-phenyl-1,5-benzodiazepin-3-yl]-3-phenyl-urea CAS Name: 1-[(3S)-1-(3-methylbutyl)-2,4-dioxo-5-phenyl-1,5-benzodiazepin-3-yl]-3-phenylurea IUPAC Name: 1-[(3S)-1-(3-methylbutyl)-2,4-dioxo-5-phenyl-1,5-benzodiazepin-3-yl]-3-phenylurea Traditional Name: 1-[(3S)-1-isoamyl-2,4-diketo-5-phenyl-1,5-benzodiazepin-3-yl]-3-phenyl-urea Formula: C27H28N4O3 MolecularWeight: 456.53622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=CC=CC=C2N(C(=O)C(C1=O)NC(=O)NC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)CCN1C2=CC=CC=C2N(C(=O)[C@H](C1=O)NC(=O)NC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H28N4O3/c1-19(2)17-18-30-22-15-9-10-16-23(22)31(21-13-7-4-8-14-21)26(33)24(25(30)32)29-27(34)28-20-11-5-3-6-12-20/h3-16,19,24H,17-18H2,1-2H3,(H2,28,29,34)/t24-/m0/s1