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

Systemtic Name: 1-(7-chloranyl-1-methyl-2-oxidanylidene-5-pyridin-3-yl-3H-1,4-benzodiazepin-3-yl)-3-(4-morpholin-4-ylnaphthalen-1-yl)thiourea Openeye Name: 1-[7-chloro-1-methyl-2-oxo-5-(3-pyridyl)-3H-1,4-benzodiazepin-3-yl]-3-(4-morpholino-1-naphthyl)thiourea CAS Name: 1-[7-chloro-1-methyl-2-oxo-5-(3-pyridinyl)-3H-1,4-benzodiazepin-3-yl]-3-[4-(4-morpholinyl)-1-naphthalenyl]thiourea IUPAC Name: 1-(7-chloro-1-methyl-2-oxo-5-pyridin-3-yl-3H-1,4-benzodiazepin-3-yl)-3-(4-morpholin-4-ylnaphthalen-1-yl)thiourea Traditional Name: 1-[7-chloro-2-keto-1-methyl-5-(3-pyridyl)-3H-1,4-benzodiazepin-3-yl]-3-(4-morpholino-1-naphthyl)thiourea Formula: C30H27ClN6O2S MolecularWeight: 571.09238

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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=CN=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=CN=CC=C6

InChI

InChI=1S/C30H27ClN6O2S/c1-36-25-10-8-20(31)17-23(25)27(19-5-4-12-32-18-19)34-28(29(36)38)35-30(40)33-24-9-11-26(37-13-15-39-16-14-37)22-7-3-2-6-21(22)24/h2-12,17-18,28H,13-16H2,1H3,(H2,33,35,40)