1-[3-[[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]carbonyl]phenyl]thiourea

Systemtic Name: 1-[3-[[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]carbonyl]phenyl]thiourea Openeye Name: [3-[4-(3-thienylmethyl)-1,4-diazepane-1-carbonyl]phenyl]thiourea CAS Name: [3-[oxo-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]methyl]phenyl]thiourea IUPAC Name: [3-[4-(thiophen-3-ylmethyl)-1,4-diazepane-1-carbonyl]phenyl]thiourea Traditional Name: [3-[4-(3-thenyl)-1,4-diazepane-1-carbonyl]phenyl]thiourea Formula: C18H22N4OS2 MolecularWeight: 374.52348

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)NC(=S)N)CC3=CSC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)NC(=S)N)CC3=CSC=C3

InChI

InChI=1S/C18H22N4OS2/c19-18(24)20-16-4-1-3-15(11-16)17(23)22-7-2-6-21(8-9-22)12-14-5-10-25-13-14/h1,3-5,10-11,13H,2,6-9,12H2,(H3,19,20,24)