1-(7-chloranyl-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-(4-morpholin-4-ylnaphthalen-1-yl)thiourea

Systemtic Name: 1-(7-chloranyl-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-(4-morpholin-4-ylnaphthalen-1-yl)thiourea Openeye Name: 1-(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-(4-morpholino-1-naphthyl)thiourea CAS Name: 1-(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-[4-(4-morpholinyl)-1-naphthalenyl]thiourea IUPAC Name: 1-(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-(4-morpholin-4-ylnaphthalen-1-yl)thiourea Traditional Name: 1-(7-chloro-2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-(4-morpholino-1-naphthyl)thiourea Formula: C31H28ClN5O2S MolecularWeight: 570.10432

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)NC(=S)NC3=CC=C(C4=CC=CC=C43)N5CCOCC5)C6=CC=CC=C6

Isomeric SMILES

CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)NC(=S)NC3=CC=C(C4=CC=CC=C43)N5CCOCC5)C6=CC=CC=C6

InChI

InChI=1S/C31H28ClN5O2S/c1-36-26-13-11-21(32)19-24(26)28(20-7-3-2-4-8-20)34-29(30(36)38)35-31(40)33-25-12-14-27(37-15-17-39-18-16-37)23-10-6-5-9-22(23)25/h2-14,19,29H,15-18H2,1H3,(H2,33,35,40)