1-[2-(4-chlorophenyl)sulfanylethyl]-3-[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]thiourea

Systemtic Name: 1-[2-(4-chlorophenyl)sulfanylethyl]-3-[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]thiourea Openeye Name: 1-[2-(4-chlorophenyl)sulfanylethyl]-3-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]thiourea CAS Name: 1-[2-[(4-chlorophenyl)thio]ethyl]-3-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]thiourea IUPAC Name: 1-[2-(4-chlorophenyl)sulfanylethyl]-3-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]thiourea Traditional Name: 1-[2-[(4-chlorophenyl)thio]ethyl]-3-[(2S)-3-keto-2-methyl-4H-1,4-benzoxazin-6-yl]thiourea Formula: C18H18ClN3O2S2 MolecularWeight: 407.93742

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)NC(=S)NCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

C[C@H]1C(=O)NC2=C(O1)C=CC(=C2)NC(=S)NCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H18ClN3O2S2/c1-11-17(23)22-15-10-13(4-7-16(15)24-11)21-18(25)20-8-9-26-14-5-2-12(19)3-6-14/h2-7,10-11H,8-9H2,1H3,(H,22,23)(H2,20,21,25)/t11-/m0/s1